General Information of the Compound
| Compound ID |
CP0459571
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| Compound Name |
N-[2-[2-[(3,4-dichlorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]thiophene-3-carboxamide
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| Structure |
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| Formula |
C27H22Cl2N6O3S
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| Molecular Weight |
581.485
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| Canonical SMILES |
COc1ccc(cc1)-c1nc2cnc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCNC(=O)c2ccsc2)c1=O
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| InChI |
InChI=1S/C27H22Cl2N6O3S/c1-38-19-5-3-17(4-6-19)23-26(37)35(10-9-30-25(36)18-8-11-39-15-18)24-22(33-23)14-32-27(34-24)31-13-16-2-7-20(28)21(29)12-16/h2-8,11-12,14-15H,9-10,13H2,1H3,(H,30,36)(H,31,32,34)
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| InChIKey |
HDMMPHYKRJFCHA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound